4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-2(1H)-one
Chemical Structure Depiction of
4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-2(1H)-one
4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-2(1H)-one
Compound characteristics
| Compound ID: | 8018-3563 |
| Compound Name: | 4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-2(1H)-one |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | Cn1c(COc2ccccc2)nnc1SCC1=CC(Nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8811 |
| logD: | 2.881 |
| logSw: | -3.6955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.347 |
| InChI Key: | KPHWVLYOXLNXLB-UHFFFAOYSA-N |